Alpha-cyclohexylidene benzeneacetonitrile
TL;DR: Alpha-cyclohexylidene benzeneacetonitrile (CAS 10461-98-0) is a chemical compound with molecular formula C14H15N and molecular weight 197.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyclohexylidene-2-phenylacetonitrile
Also Known As: 2-cyclohexylidene-2-phenylacetonitrile, Peonile, peony acetonitrile, Benzeneacetonitrile, a-cyclohexylidene-, cyclohexylidene(phenyl)acetonitrile
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H15N |
| Molecular Weight | 197.12045 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 197.12045 Da |
| Heavy Atoms | 15 |
| Complexity | 278.0 |
| SMILES | C1CCC(=C(C#N)C2=CC=CC=C2)CC1 |
| InChIKey | ZHOOOLQOWQVYOE-UHFFFAOYSA-N |
Chemical Property Profile of Alpha-cyclohexylidene benzeneacetonitrile
Property Insights of Alpha-cyclohexylidene benzeneacetonitrile
The XLogP value of 3.6 indicates that Alpha-cyclohexylidene benzeneacetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Alpha-cyclohexylidene benzeneacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-cyclohexylidene benzeneacetonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alpha-cyclohexylidene benzeneacetonitrile?
The CAS number of Alpha-cyclohexylidene benzeneacetonitrile is 10461-98-0.
What is the molecular formula of Alpha-cyclohexylidene benzeneacetonitrile?
The molecular formula of Alpha-cyclohexylidene benzeneacetonitrile is C14H15N.
What is the molecular weight of Alpha-cyclohexylidene benzeneacetonitrile?
The molecular weight of Alpha-cyclohexylidene benzeneacetonitrile is 197.12045 g/mol.
Where can I buy Alpha-cyclohexylidene benzeneacetonitrile?
You can request a quote for Alpha-cyclohexylidene benzeneacetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alpha-cyclohexylidene benzeneacetonitrile?
Yes, CoreyChem provides custom synthesis services for Alpha-cyclohexylidene benzeneacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.